CID 581530

1,4-difluoro-2,3-dimethylbenzene

Structural Information

Molecular Formula
C8H8F2
SMILES
CC1=C(C=CC(=C1C)F)F
InChI
InChI=1S/C8H8F2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
InChIKey
XPAQTSZVOILIGO-UHFFFAOYSA-N
Compound name
1,4-difluoro-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

142.0594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.066676 121.9
[M+Na]+ 165.048618 132.8
[M-H]- 141.052124 124.1
[M+NH4]+ 160.093223 144.5
[M+K]+ 181.022558 130.5
[M+H-H2O]+ 125.056660 115.7
[M+HCOO]- 187.057601 144.8
[M+CH3COO]- 201.073251 177.3
[M+Na-2H]- 163.034066 127.8
[M]+ 142.05885142 120.4
[M]- 142.05994858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe